SCHEMBL7497007

SCHEMBL7497007

CCOC(=O)C1(N(C)c2c(F)c(F)nc(Oc3cc(C#N)ccc3OCc3ccccc3)c2F)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.39
MRGPRX4 Q96LA9 3/20 0.39
SLC6A9 P48067 1/20 0.36
XDH P47989 3/20 0.35
CYP19A1 P11511 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
FFAR1 O14842 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7492135 0.89 MRGPRX4 (0.38) PTGER1MRGPRX4SLC6A9XDHCYP19A1
SCHEMBL7495685 0.85 MRGPRX4 (0.35) PTGER1MRGPRX4SLC6A9XDHCYP19A1
SCHEMBL7487404 0.84 MRGPRX4 (0.35) PTGER1MRGPRX4SLC6A9HCRTR1HCRTR2
SCHEMBL7485110 0.84 F10 (0.47) PTGER1MRGPRX4SLC6A9
SCHEMBL6590500 0.82 MRGPRX4 (0.39) PTGER1MRGPRX4SLC6A9XDHCYP19A1
SCHEMBL6590506 0.82 MRGPRX4 (0.39) PTGER1MRGPRX4SLC6A9XDHCYP19A1
SCHEMBL6591101 0.82 MRGPRX4 (0.39) PTGER1MRGPRX4SLC6A9XDHCYP19A1
SCHEMBL7487818 0.81 MRGPRX4 (0.34) PTGER1MRGPRX4SLC6A9XDHCYP19A1
SCHEMBL7488502 0.81 MRGPRX4 (0.38) PTGER1MRGPRX4SLC6A9XDHCYP19A1
SCHEMBL6597141 0.81 MRGPRX4 (0.38) PTGER1MRGPRX4SLC6A9XDHCYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929547-B1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AG (DE) 2002-11-27 EP disclosed
US-6265404-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-07-24 US disclosed
US-6232325-B1 THROMBOSIS THERAPY BERLEX LABORATORIES, INC. 2001-05-15 US disclosed
US-6177473-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-01-23 US disclosed
US-6008234-A TREATING A HUMAN HAVING A DISEASE-STATE CHARACTERIZED BY THROMBOTIC ACTIVITY, INHIBITING HUMAN BLOOD COAGULATION FACTOR XA BERLEX LABORATORIES, INC. (US) 1999-12-28 US disclosed